(2-methoxyphenyl) 8-oxidanylidene-7-(2-phenylethanoylamino)-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (2-methoxyphenyl) 8-oxidanylidene-7-(2-phenylethanoylamino)-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (2-methoxyphenyl) 8-oxo-7-[(2-phenylacetyl)amino]-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-mercapto-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2-methoxyphenyl) ester IUPAC Name: (2-methoxyphenyl) 8-oxo-7-[(2-phenylacetyl)amino]-3-sulfanyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-mercapto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid (2-methoxyphenyl) ester Formula: C22H20N2O5S2 MolecularWeight: 456.5346

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)S

Isomeric SMILES

COC1=CC=CC=C1OC(=O)C2=C(CSC3N2C(=O)C3NC(=O)CC4=CC=CC=C4)S

InChI

InChI=1S/C22H20N2O5S2/c1-28-14-9-5-6-10-15(14)29-22(27)19-16(30)12-31-21-18(20(26)24(19)21)23-17(25)11-13-7-3-2-4-8-13/h2-10,18,21,30H,11-12H2,1H3,(H,23,25)